Geometry & MOs

Info

ID:

394217

PubChem CID:

135022549

Reduced:

N2O2C15H17 (1)

Stoich.:

A2B2C15D17 (1)

Weight, g/mol:

256.121178

ΔHf, kcal/mol:

-2.97

Dipole, Da:

2.77

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.434305

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-2-[4-(dimethylamino)phenyl]-3-hydroxy-4-(2-iminopropylidene)cyclobut-2-en-1-one

Drug info:

PubChemData

Smile

CC(=[NH2+])/C=C\1/C(=C(C1=O)C2=CC=C(C=C2)N(C)C)O

DOS

IR

Vibrations